3MM3
Dye-decolorizing peroxidase (DyP) D171N in complex with cyanide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2009-06-15 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.954, 97.150, 46.460 |
| Unit cell angles | 90.00, 104.04, 90.00 |
Refinement procedure
| Resolution | 48.560 - 1.400 |
| R-factor | 0.182 |
| Rwork | 0.181 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2d3q |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.203 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
| Rmerge | 0.050 | 0.032 | 0.261 |
| Number of reflections | 75208 | ||
| <I/σ(I)> | 15.8 | ||
| Completeness [%] | 99.0 | 96.5 | 98 |
| Redundancy | 3.7 | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 278 | PEG 8000, pH 6.0, vapor diffusion, hanging drop, temperature 278K |
